6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C18H19N5O2 — CID 134809527

IUPAC6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(CN2Cc3[nH]nc(-c4ccnn4C)c3CC2=O)cc1
InChIInChI=1S/C18H19N5O2/c1-22-16(7-8-19-22)18-14-9-17(24)23(11-15(14)20-21-18)10-12-3-5-13(25-2)6-4-12/h3-8H,9-11H2,1-2H3,(H,20,21)
InChIKeyLEXJZHAZWCBPJP-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.90
Rot. Bonds4

About 6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134809527) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134809527
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(CN2Cc3[nH]nc(-c4ccnn4C)c3CC2=O)cc1
InChIInChI=1S/C18H19N5O2/c1-22-16(7-8-19-22)18-14-9-17(24)23(11-15(14)20-21-18)10-12-3-5-13(25-2)6-4-12/h3-8H,9-11H2,1-2H3,(H,20,21)
InChIKeyLEXJZHAZWCBPJP-UHFFFAOYSA-N
XLogP1.90
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134809527) is 6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COc1ccc(CN2Cc3[nH]nc(-c4ccnn4C)c3CC2=O)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is LEXJZHAZWCBPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22-16(7-8-19-22)18-14-9-17(24)23(11-15(14)20-21-18)10-12-3-5-13(25-2)6-4-12/h3-8H,9-11H2,1-2H3,(H,20,21).
What are the key properties of 6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 337.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134809527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).